2-[2-(2-acetamidopropylamino)-1,3-thiazol-4-yl]acetic acid

C10H15N3O3S — CID 84761781

IUPAC2-[2-(2-acetamidopropylamino)-1,3-thiazol-4-yl]acetic acid
SMILESCC(=O)NC(C)CNc1nc(CC(=O)O)cs1
InChIInChI=1S/C10H15N3O3S/c1-6(12-7(2)14)4-11-10-13-8(5-17-10)3-9(15)16/h5-6H,3-4H2,1-2H3,(H,11,13)(H,12,14)(H,15,16)
InChIKeyGQVISTOBLCUORS-UHFFFAOYSA-N
MW257.31 g/mol
LogP0.71
Rot. Bonds6

About 2-[2-(2-acetamidopropylamino)-1,3-thiazol-4-yl]acetic acid

2-[2-(2-acetamidopropylamino)-1,3-thiazol-4-yl]acetic acid (PubChem CID 84761781) has the molecular formula C10H15N3O3S and a molecular weight of 257.31 g/mol. Its IUPAC name is 2-[2-(2-acetamidopropylamino)-1,3-thiazol-4-yl]acetic acid.

Molecular Properties

Compound Name2-[2-(2-acetamidopropylamino)-1,3-thiazol-4-yl]acetic acid
PubChem CID84761781
Molecular FormulaC10H15N3O3S
Molecular Weight257.31 g/mol
Exact Mass257.08
IUPAC Name2-[2-(2-acetamidopropylamino)-1,3-thiazol-4-yl]acetic acid
SMILESCC(=O)NC(C)CNc1nc(CC(=O)O)cs1
InChIInChI=1S/C10H15N3O3S/c1-6(12-7(2)14)4-11-10-13-8(5-17-10)3-9(15)16/h5-6H,3-4H2,1-2H3,(H,11,13)(H,12,14)(H,15,16)
InChIKeyGQVISTOBLCUORS-UHFFFAOYSA-N
XLogP0.71
TPSA91.32 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.31
LogP ≤ 50.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

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2-[2-(2,3,3-trimethylbutylamino)-1,3-thiazol-4-yl]acetic acid
CID 83147221
2-[2-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]-1,3-thiazol-4-yl]acetic acid
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2-[2-(pentylamino)-1,3-thiazol-4-yl]acetic acid
CID 80575582
2-[2-[[(2S,3S)-3-methylpentan-2-yl]amino]-1,3-thiazol-4-yl]acetic acid
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2-[2-(2-methylbutanoylamino)-1,3-thiazol-4-yl]acetic acid
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2-[2-(2,2-dimethylhydrazinyl)-1,3-thiazol-4-yl]acetic acid
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2-[2-(3,3-dimethylbutanoylamino)-1,3-thiazol-4-yl]acetic acid
CID 16785815
2-[2-[[(Z)-2-methylbut-2-enoyl]amino]-1,3-thiazol-4-yl]acetic acid
CID 115909600
methyl 2-[2-(2-phenylpropylamino)-1,3-thiazol-4-yl]acetate
CID 104592481
2-(2-formamido-1,3-thiazol-4-yl)acetic acid
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2-[2-(3-ethylpentan-3-ylamino)-1,3-thiazol-4-yl]acetic acid
CID 80576122

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-acetamidopropylamino)-1,3-thiazol-4-yl]acetic acid?
The IUPAC name of 2-[2-(2-acetamidopropylamino)-1,3-thiazol-4-yl]acetic acid (CID 84761781) is 2-[2-(2-acetamidopropylamino)-1,3-thiazol-4-yl]acetic acid.
What is the SMILES notation for 2-[2-(2-acetamidopropylamino)-1,3-thiazol-4-yl]acetic acid?
The canonical SMILES for 2-[2-(2-acetamidopropylamino)-1,3-thiazol-4-yl]acetic acid is CC(=O)NC(C)CNc1nc(CC(=O)O)cs1.
What is the InChIKey of 2-[2-(2-acetamidopropylamino)-1,3-thiazol-4-yl]acetic acid?
The InChIKey is GQVISTOBLCUORS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O3S/c1-6(12-7(2)14)4-11-10-13-8(5-17-10)3-9(15)16/h5-6H,3-4H2,1-2H3,(H,11,13)(H,12,14)(H,15,16).
What are the key properties of 2-[2-(2-acetamidopropylamino)-1,3-thiazol-4-yl]acetic acid?
2-[2-(2-acetamidopropylamino)-1,3-thiazol-4-yl]acetic acid has a molecular weight of 257.31 g/mol, XLogP of 0.71, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-acetamidopropylamino)-1,3-thiazol-4-yl]acetic acid is sourced from PubChem (CID 84761781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).